N-cyclopropyl-4-[(4,6-difluoro-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide

C17H16F2N2O4S2 — CID 112846260

IUPACN-cyclopropyl-4-[(4,6-difluoro-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCc3c(F)cc(F)cc32)cc1
InChIInChI=1S/C17H16F2N2O4S2/c18-11-9-16(19)15-7-8-21(17(15)10-11)27(24,25)14-5-3-13(4-6-14)26(22,23)20-12-1-2-12/h3-6,9-10,12,20H,1-2,7-8H2
InChIKeyOGYJKWHRTLZZHH-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.16
Rot. Bonds5

About N-cyclopropyl-4-[(4,6-difluoro-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide

N-cyclopropyl-4-[(4,6-difluoro-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide (PubChem CID 112846260) has the molecular formula C17H16F2N2O4S2 and a molecular weight of 414.46 g/mol. Its IUPAC name is N-cyclopropyl-4-[(4,6-difluoro-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(4,6-difluoro-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide
PubChem CID112846260
Molecular FormulaC17H16F2N2O4S2
Molecular Weight414.46 g/mol
Exact Mass414.05
IUPAC NameN-cyclopropyl-4-[(4,6-difluoro-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCc3c(F)cc(F)cc32)cc1
InChIInChI=1S/C17H16F2N2O4S2/c18-11-9-16(19)15-7-8-21(17(15)10-11)27(24,25)14-5-3-13(4-6-14)26(22,23)20-12-1-2-12/h3-6,9-10,12,20H,1-2,7-8H2
InChIKeyOGYJKWHRTLZZHH-UHFFFAOYSA-N
XLogP2.16
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-cyclopentyl-2,3-dihydroindole-5-sulfonamide
CID 19164457
N-cyclopropyl-3,5-difluorobenzenesulfonamide
CID 60648847
N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide
CID 119961776
4-(2,4-difluorophenyl)-N-(4-oxocyclohexyl)benzenesulfonamide
CID 45279229
4,6-difluoro-1-[(2S,3S)-2-methyloxolan-3-yl]sulfonyl-2,3-dihydroindole
CID 124861706
4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide
CID 119959258
N-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide
CID 1429249
4-[(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid
CID 99773671
4-(2,4-difluorophenyl)-N-[4-(ethylamino)cyclohexyl]benzenesulfonamide
CID 45279055
2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide
CID 54881709
4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 34342091
4-(2,4-difluorophenyl)-N-[4-(4-pyrrolidin-1-ylbutyl)cyclohexyl]benzenesulfonamide
CID 129013703

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(4,6-difluoro-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[(4,6-difluoro-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide (CID 112846260) is N-cyclopropyl-4-[(4,6-difluoro-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[(4,6-difluoro-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[(4,6-difluoro-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide is O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCc3c(F)cc(F)cc32)cc1.
What is the InChIKey of N-cyclopropyl-4-[(4,6-difluoro-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide?
The InChIKey is OGYJKWHRTLZZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O4S2/c18-11-9-16(19)15-7-8-21(17(15)10-11)27(24,25)14-5-3-13(4-6-14)26(22,23)20-12-1-2-12/h3-6,9-10,12,20H,1-2,7-8H2.
What are the key properties of N-cyclopropyl-4-[(4,6-difluoro-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide?
N-cyclopropyl-4-[(4,6-difluoro-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide has a molecular weight of 414.46 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(4,6-difluoro-2,3-dihydroindol-1-yl)sulfonyl]benzenesulfonamide is sourced from PubChem (CID 112846260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).